Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | MERTK | Q12866 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | TTR | P02766 | 1/20 | 0.43 |
| ▸ | ALB | P02768 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | HPSE | Q9Y251 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL31556306 | 0.83 | SMN1; SMN2 (0.53) | CYP1A2CYP2C9CYP2C19SMN1; SMN2NPSR1 | |
| SCHEMBL3318989 | 0.83 | SMN1; SMN2 (0.53) | CYP1A2CYP2C9CYP2C19SMN1; SMN2NPSR1 | |
| SCHEMBL5323748 | 0.80 | MAPT (0.46) | CYP1A2CYP2C9MEN1KMT2ATDP1 | |
| SCHEMBL21295414 | 0.79 | ALDH1A1 (0.50) | CYP1A2CYP2C9CYP2C19SMN1; SMN2NPSR1 | |
| SCHEMBL10959848 | 0.78 | HTR6 (0.52) | CYP1A2CYP2C9CYP2C19SMN1; SMN2NPSR1 | |
| SCHEMBL1334205 | 0.77 | KDM4E (0.47) | CYP1A2MERTKMEN1KMT2ATDP1 | |
| SCHEMBL11714812 | 0.77 | VCAM1 (0.54) | CYP1A2MERTKMEN1KMT2ATDP1 | |
| SCHEMBL1333357 | 0.77 | KDM4E (0.47) | CYP1A2MERTKMEN1KMT2ATDP1 | |
| SCHEMBL5291433 | 0.76 | MAPT (0.54) | CYP1A2CYP2C9NPSR1MEN1KMT2A | |
| SCHEMBL5328536 | 0.76 | AR (0.44) | CYP1A2CYP2C9CYP2C19SMN1; SMN2MEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007135417-A1 | BENZOTRIAZEPINONE DERIVATIVES | JAMES BLACK FOUNDATION (GB) | 2007-11-29 | — | — | WO | disclosed |